N-[(2-methoxyphenyl)methyl]hexan-1-amine

C14H23NO — CID 4716798

IUPACN-[(2-methoxyphenyl)methyl]hexan-1-amine
SMILESCCCCCCNCc1ccccc1OC
InChIInChI=1S/C14H23NO/c1-3-4-5-8-11-15-12-13-9-6-7-10-14(13)16-2/h6-7,9-10,15H,3-5,8,11-12H2,1-2H3
InChIKeyFHSBWLNCEQKAIN-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.37
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]hexan-1-amine

N-[(2-methoxyphenyl)methyl]hexan-1-amine (PubChem CID 4716798) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]hexan-1-amine
PubChem CID4716798
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(2-methoxyphenyl)methyl]hexan-1-amine
SMILESCCCCCCNCc1ccccc1OC
InChIInChI=1S/C14H23NO/c1-3-4-5-8-11-15-12-13-9-6-7-10-14(13)16-2/h6-7,9-10,15H,3-5,8,11-12H2,1-2H3
InChIKeyFHSBWLNCEQKAIN-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
CID 14914753
N-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine
CID 542258
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880
N-[(2-decoxyphenyl)methyl]octadecan-1-amine;hydrochloride
CID 171669194
N-[(2-propoxyphenyl)methyl]hexan-1-amine
CID 29221808
N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
N',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214523
N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797439
N'-[(2-methoxyphenyl)methyl]-N-[[4-[4-[4-[[6-[(2-methoxyphenyl)methylamino]hexylamino]methyl]phenyl]phenyl]phenyl]methyl]hexane-1,6-diamine
CID 10930604
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]hexan-1-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]hexan-1-amine (CID 4716798) is N-[(2-methoxyphenyl)methyl]hexan-1-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]hexan-1-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]hexan-1-amine is CCCCCCNCc1ccccc1OC.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]hexan-1-amine?
The InChIKey is FHSBWLNCEQKAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-5-8-11-15-12-13-9-6-7-10-14(13)16-2/h6-7,9-10,15H,3-5,8,11-12H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]hexan-1-amine?
N-[(2-methoxyphenyl)methyl]hexan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]hexan-1-amine is sourced from PubChem (CID 4716798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).